bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane

C19H25Br2OPSSi — CID 132967695

IUPACbis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)[Si](C)(C)OCP(=S)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H25Br2OPSSi/c1-19(2,3)25(4,5)22-14-23(24,17-10-6-15(20)7-11-17)18-12-8-16(21)9-13-18/h6-13H,14H2,1-5H3
InChIKeyTYYYGPZJCQXJCX-UHFFFAOYSA-N
MW520.34 g/mol
LogP6.62
Rot. Bonds5

About bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane

bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane (PubChem CID 132967695) has the molecular formula C19H25Br2OPSSi and a molecular weight of 520.34 g/mol. Its IUPAC name is bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane
PubChem CID132967695
Molecular FormulaC19H25Br2OPSSi
Molecular Weight520.34 g/mol
Exact Mass517.95
IUPAC Namebis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)[Si](C)(C)OCP(=S)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H25Br2OPSSi/c1-19(2,3)25(4,5)22-14-23(24,17-10-6-15(20)7-11-17)18-12-8-16(21)9-13-18/h6-13H,14H2,1-5H3
InChIKeyTYYYGPZJCQXJCX-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.34
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
2-(4-bromophenyl)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-amine
CID 70200388
[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
CID 155744450
[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 59749522
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627
2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
CID 164858094
2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10641233
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
(4-bromofuran-2-yl)methoxy-tert-butyl-dimethylsilane
CID 68521066
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
(4-bromophenyl)-tert-butyl-dimethylsilane
CID 15446452
(4-bromophenyl)methyl-tert-butyl-dimethylsilane
CID 54547994

Frequently Asked Questions

What is the IUPAC name of bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane (CID 132967695) is bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane is CC(C)(C)[Si](C)(C)OCP(=S)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane?
The InChIKey is TYYYGPZJCQXJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Br2OPSSi/c1-19(2,3)25(4,5)22-14-23(24,17-10-6-15(20)7-11-17)18-12-8-16(21)9-13-18/h6-13H,14H2,1-5H3.
What are the key properties of bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane?
bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane has a molecular weight of 520.34 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 132967695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).